N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide

C19H16N6O3 — CID 1016403

IUPACN-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C19H16N6O3/c1-11(26)12-6-8-13(9-7-12)21-16(27)10-25-15-5-3-2-4-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyKYZLBFNIQZNZKF-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.51
Rot. Bonds5

About N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide

N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide (PubChem CID 1016403) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
PubChem CID1016403
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1
InChIInChI=1S/C19H16N6O3/c1-11(26)12-6-8-13(9-7-12)21-16(27)10-25-15-5-3-2-4-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27)
InChIKeyKYZLBFNIQZNZKF-UHFFFAOYSA-N
XLogP2.51
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide (CID 1016403) is N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
The InChIKey is KYZLBFNIQZNZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11(26)12-6-8-13(9-7-12)21-16(27)10-25-15-5-3-2-4-14(15)22-19(25)17-18(20)24-28-23-17/h2-9H,10H2,1H3,(H2,20,24)(H,21,27).
What are the key properties of N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide?
N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 1016403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).